0 B8R1.1 C#CC1=NN(C)C=C1 SBB116170 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=NC(C#N)=CS1 SBB085571 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.1 CC1=NN=C(CCl)O1 SBB012831 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CC1=NN=C(CN)O1 SBB018726 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CCC1=NN=C(N)O1 SBB059512 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CN1C=CC(C#N)=N1 SBB021945 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CSC1=NC(N)=NS1 SBB005495 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CSC1=NC(O)=NS1 SBB059105 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CSC1=NN=C(N)N1 SBB005552 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CSC1=NN=C(S)S1 SBB087838 [0,0,0,0,0,0|3,1,0]=4 35 B8R1.1 CSC1=NSC(N)=N1 SBB005494 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 N#CC1=CC=C(Br)O1 SBB000174 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 N#CC1=CC=C(F)S1 SBB116496 [0,0,0,0,0,0|3,1,0]=4 38 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [0,0,0,0,0,0|3,1,0]=4 43 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,0,0,0,0,0|3,1,0]=4 45 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,0,0,0,0,0|3,1,0]=4 46 B8R1.1 SC1=NC(SC)=NS1 SBB003912 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 C#CC1=CC=CS1 SBB008821 [1,0,0,0,0,0|1,1,1]=4 48 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,0,0|0,1,0]=2 50 B7R1.1 CSC1=CSC=C1 SBB055747 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 CSC1=NN=CN1 SBB059216 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 ClCC1=CC=NO1 SBB013787 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 N#CC1=CC=CN1 SBB067109 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 N#CC1=CC=CO1 SBB055776 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 N#CC1=CC=CS1 SBB055745 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 CC1=CC(C)=NN1 SBB004377 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 CC1=CC(C)=NO1 SBB042637 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.2 CC1=CN(C)C=N1 SBB073385 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.2 CC1=CN(C)N=C1 SBB073292 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.2 CC1=CN=C(N)S1 SBB028194 [1,0,0,0,0,0|2,1,0]=4 74 B7R1.2 CC1=CNC(C)=C1 SBB059454 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.2 CC1=CSC(S)=N1 SBB041075 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.2 CC1=NN=C(N)O1 SBB046365 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.2 CC1=NN=C(S)N1 SBB024699 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 CC1=NNC(C)=N1 SBB108831 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 CN1C=CC(I)=N1 SBB093951 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 CN1C=CC(N)=N1 SBB019460 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 IC1=CC=C(I)S1 SBB058942 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.2 N1C=C(C)N=C1S SBB059569 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.2 NC1=CC=C(S)S1 SBB000065 [1,0,0,0,0,0|1,1,0]=3 89 B7R1.2 NC1=NC(C)=CS1 SBB004307 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,0,0,0|1,1,0]=3 91 B7R1.2 SC1=NN=C(C)S1 SBB004217 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.7 CC1=CC=C(\C=N\O)O1 SBB085593 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.7 CC1=CC=C(\C=N\O)S1 SBB086199 [0,1,0,0,0,0|2,1,0]=4 95 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,0,0,0|2,1,0]=4 96 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.7 CN1C=CC(CCN)=N1 SBB073919 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,1,0,0,0,0|1,1,0]=3 104 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.7 CNCC1=NN(C)C=C1 SBB020588 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,0,0,0|1,1,1]=4 110 B9R1.21 CCC1=NN=C(CCl)O1 SBB018931 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.21 CCN1C=CC(CCl)=N1 SBB025730 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.21 CCN1C=CC(CN)=N1 SBB020586 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,1,0,0,0,0|0,1,1]=3 115 B9R1.22 CC1=CC(C)=C(C=O)N1 SBB066755 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.22 CCN1N=C(C)C=C1N SBB022583 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.23 CC1=C(Br)C=C(C=O)S1 SBB019870 [0,1,0,0,0,0|2,1,0]=4 121 B9R1.23 CCN1C=C(Br)C(C)=N1 SBB020342 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.23 CCN1C=C(Cl)C(C)=N1 SBB046652 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.23 CCN1C=C(I)C(C)=N1 SBB051459 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.23 O=CC1=CC(Br)=C(Br)O1 SBB052273 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,1,0,0,0,0|2,1,0]=4 128 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,0,0|1,1,0]=3 130 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,1,0,0,0,0|2,1,0]=4 131 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,1,0,0,0,0|2,1,0]=4 132 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,1,0,0,0,0|2,1,0]=4 133 B9R1.35 CC(=O)C1=CN=C(N)O1 SBB072544 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 CC(N)C1=NN(C)C=C1 SBB009481 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,1,0,0,0,0|2,1,0]=4 138 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,1,0,0,0,0|2,1,0]=4 140 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,1,0,0,0,0|2,1,0]=4 142 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.132 CC1=CC=C(CN)N1C SBB012870 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.132 CSC1=NN=C(C)N1N SBB021734 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,1,0,0,0|2,0,1]=4 152 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,1,0,0,0|2,0,1]=4 154 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.1 CC1=CC=C(NN)N=N1 SBB055937 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.1 CNC1=NN=C(Cl)C=C1 SBB010299 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [0,0,0,0,0,1|2,1,0]=4 173 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [0,0,0,0,0,1|2,1,0]=4 174 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,0,0,0,0,1|1,1,0]=3 175 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [0,0,0,0,0,1|2,1,0]=4 176 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [0,0,0,0,0,1|2,1,0]=4 177 B9R1.1 COC1=CC=C(I)N=N1 SBB054551 [0,0,0,0,0,1|2,1,0]=4 178 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [0,0,0,0,0,1|2,1,0]=4 179 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [0,0,0,0,0,1|2,1,0]=4 180 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [0,0,0,0,0,1|2,1,0]=4 181 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [0,0,0,0,0,1|2,1,0]=4 182 B9R1.1 COC1=NN=C(Cl)C=C1 SBB004124 [0,0,0,0,0,1|2,1,0]=4 183 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 CNC1=CC=NC(Cl)=N1 SBB051952 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.2 CNC1=NC=CC(N)=N1 SBB085558 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [0,0,0,0,0,1|2,1,0]=4 212 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [0,0,0,0,0,1|2,1,0]=4 213 B9R1.2 COC1=CC(N)=NC=C1 SBB051898 [0,0,0,0,0,1|2,1,0]=4 214 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [0,0,0,0,0,1|2,1,0]=4 215 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [0,0,0,0,0,1|2,1,0]=4 216 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,0,0,0,0,1|1,1,0]=3 217 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [0,0,0,0,0,1|2,1,0]=4 218 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [0,0,0,0,0,1|2,1,0]=4 219 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [0,0,0,0,0,1|2,1,0]=4 220 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [0,0,0,0,0,1|2,1,0]=4 221 B9R1.2 COC1=CC=NC(Cl)=N1 SBB054496 [0,0,0,0,0,1|2,1,0]=4 222 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [0,0,0,0,0,1|2,1,0]=4 223 B9R1.2 COC1=NC(N)=NC=C1 SBB051950 [0,0,0,0,0,1|2,1,0]=4 224 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [0,0,0,0,0,1|2,1,0]=4 225 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [0,0,0,0,0,1|2,1,0]=4 226 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [0,0,0,0,0,1|1,0,0]=2 227 B9R1.2 CSC1=NC=CC(=O)N1 SBB062854 [0,0,0,0,0,1|2,0,0]=3 228 B9R1.2 CSC1=NC=CC(Cl)=N1 SBB054478 [0,0,0,0,0,1|2,0,0]=3 229 B9R1.2 CSC1=NC=CC(N)=N1 SBB051949 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.2 CSC1=NN=CC(=O)N1 SBB015202 [0,0,0,0,0,1|3,0,0]=4 231 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,1,0,0,0|0,1,1]=4 232 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,1,0,0,0|0,1,1]=4 233 B6R0.2 C=C(C)OC(C)=O SBB056824 [1,0,1,0,0,0|1,0,0]=3 234 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,1,0,0,0|0,1,1]=4 235 B6R1.2 BrC1=CC=CO1 SBB054415 [2,0,0,0,0,0|1,0,0]=3 236 B6R1.2 BrC1=CC=CS1 SBB003931 [2,0,0,0,0,0|1,1,0]=4 237 B6R1.2 CC1=CN=CS1 SBB055804 [2,0,0,0,0,0|1,1,0]=4 238 B6R1.2 CC1=NC=CN1 SBB040944 [2,0,0,0,0,0|2,0,0]=4 239 B6R1.2 CC1=NNC=C1 SBB004404 [2,0,0,0,0,0|2,0,0]=4 240 B6R1.2 CN1C=CC=N1 SBB013729 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 FC1=CC=CS1 SBB073288 [2,0,0,0,0,0|1,1,0]=4 242 B6R1.2 IC1=CC=CS1 SBB054409 [2,0,0,0,0,0|1,1,0]=4 243 B6R1.2 NC1=NC=CO1 SBB019333 [2,0,0,0,0,0|2,0,0]=4 244 B6R1.2 O=C1C=CCO1 SBB040281 [2,0,0,0,0,0|0,1,1]=4 245 B6R1.2 SC1=CC=CS1 SBB059094 [2,0,0,0,0,0|0,1,0]=3 246 B6R1.2 SC1=NC=CN1 SBB004368 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 SC1=NC=CS1 SBB066357 [2,0,0,0,0,0|1,1,0]=4 248 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,1,1,0,0,0|1,0,1]=4 249 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [1,1,0,0,0,0|1,1,0]=4 252 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,1,0,0,0,0|1,1,0]=4 254 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.7 OB(O)C1=CC=CO1 SBB004326 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,1,0,0,0,0|1,1,0]=4 261 B8R1.8 CNCC1=CC=CO1 SBB079004 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.8 NCCC1=CC=CO1 SBB013333 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,1,0,0,0,0|1,1,0]=4 264 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,1,0,0,0,0|1,1,0]=4 265 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,1,0,0,0,0|1,1,0]=4 266 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [1,1,0,0,0,0|1,1,0]=4 268 B8R1.18 CC1=C(C)SC(S)=N1 SBB059522 [1,1,0,0,0,0|1,1,0]=4 269 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [1,1,0,0,0,0|0,0,1]=3 270 B8R1.18 CC1=CC(C)=NN1C SBB055828 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.18 CC1=NC(C)=C(Br)S1 SBB054427 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.18 CC1=NN(C)C(Cl)=C1 SBB054432 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.18 CC1=NN(C)C(F)=C1 SBB116432 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.18 CC1=NN(C)C(N)=C1 SBB022916 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.18 CC1=NN(C)C=C1Br SBB005613 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.18 CC1=NN(C)C=C1Cl SBB046655 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.18 CC1=NN(C)C=C1I SBB051457 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.18 CC1=NN(C)C=C1N SBB009353 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.50 CC1=CC=C(C)N1N SBB059489 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [0,1,0,0,0,1|1,1,0]=4 281 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [0,1,0,0,0,1|1,1,0]=4 286 B10R1.3 CNC1=CC=C(OC)C=C1 SBB072645 [0,1,0,0,0,1|1,1,0]=4 287 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [0,1,0,0,0,1|1,1,0]=4 288 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [0,1,0,0,0,1|1,1,0]=4 289 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [0,1,0,0,0,1|1,1,0]=4 290 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [0,1,0,0,0,1|1,1,0]=4 291 B10R1.3 COC1=CC=C(OC)C=C1 SBB060067 [0,1,0,0,0,1|1,1,0]=4 292 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [0,1,0,0,0,1|1,0,1]=4 293 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [0,1,0,0,0,1|1,0,1]=4 294 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.25 COC1=C(O)C=C(C)C=C1 SBB008267 [0,1,0,0,0,1|1,1,0]=4 304 B10R1.25 COC1=CC=C(C)C=C1C SBB061025 [0,1,0,0,0,1|1,1,0]=4 305 B10R1.25 COC1=CC=C(C)C=C1N SBB040483 [0,1,0,0,0,1|1,1,0]=4 306 B10R1.25 CSC1=C(C)C=C(O)C=C1 SBB071462 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 SBB088828 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.176 COC1=CC(N)=C(C)C=C1 SBB058810 [0,1,0,0,0,1|1,1,0]=4 310 B10R1.176 COC1=CC=C(C)C(F)=C1 SBB086170 [0,1,0,0,0,1|1,1,0]=4 311 B10R1.2 CCC1=C(O)C(C)=CC=C1 SBB071423 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.2 CCC1=CC=CC(C)=C1I SBB100083 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.2 CCC1=CC=CC(C)=C1N SBB040448 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.2 COC1=C(O)C(C)=CC=C1 SBB008271 [0,1,0,0,0,1|1,1,0]=4 315 B10R1.8 CCC1=CC(C)=CC(C)=C1 SBB060975 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.8 CCC1=CC(O)=NC(C)=N1 SBB086014 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.8 COC1=CC(O)=CC(C)=C1 SBB008618 [0,1,0,0,0,1|1,1,0]=4 318 B10R1.8 CSC1=NC(C)=NC(N)=N1 SBB052029 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 SBB054482 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.8 CSC1=NC(N)=CC(=O)N1 SBB016060 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.8 CSC1=NC(N)=CC(N)=N1 SBB028321 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.8 CSC1=NC(O)=CC(=O)N1 SBB057052 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.8 CSC1=NC(O)=CC(N)=N1 SBB042542 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.8 CSC1=NC(O)=NC(C)=C1 SBB087169 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.8 NC1=CC(Cl)=NC(SC)=N1 SBB003786 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [0,1,0,0,0,1|1,1,0]=4 327 B10R1.10 CCSC1=NC(O)=CC=N1 SBB081944 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.30 COC1=C(O)C=CC(C)=C1 SBB008258 [0,1,0,0,0,1|1,1,0]=4 332 B10R1.30 COC1=CC(C)=CC=C1F SBB086162 [0,1,0,0,0,1|1,1,0]=4 333 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SBB068974 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.113 CC1=CC(N(C)C)=CC=C1 SBB008276 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.113 CC1=CC=CC(C(C)N)=C1 SBB046820 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.172 CNC1=NC(OC)=CC=C1 SBB051844 [0,1,0,0,0,1|1,1,0]=4 339 B10R1.172 COC1=CC(CN)=CC=C1 SBB061735 [0,1,0,0,0,1|1,1,0]=4 340 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [0,1,0,0,0,1|1,1,0]=4 341 B10R1.172 COC1=CC=CC(CBr)=C1 SBB054900 [0,1,0,0,0,1|1,1,0]=4 342 B10R1.172 COC1=CC=CC(CCl)=C1 SBB040609 [0,1,0,0,0,1|1,1,0]=4 343 B10R1.172 COC1=CC=CC(OC)=C1 SBB060066 [0,1,0,0,0,1|1,1,0]=4 344 B10R1.172 COC1=CC=NC(OC)=C1 SBB086068 [0,1,0,0,0,1|1,1,0]=4 345 B10R1.14 COC(=O)C1=CC=C(Br)O1 SBB041085 [0,2,0,0,0,0|1,1,0]=4 346 B10R1.14 COC(=O)C1=CC=C(C)S1 SBB027056 [0,2,0,0,0,0|0,2,0]=4 347 B10R1.16 CC1=CC=C(CCC=O)O1 SBB017913 [0,2,0,0,0,0|1,0,0]=3 348 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,2,0,0,0,0|1,0,1]=4 349 B10R1.96 COCC1=CC=C(C=O)O1 SBB019776 [0,2,0,0,0,0|0,1,1]=4 350 B10R1.31 CCC1=CC=C(C(=O)O)O1 SBB085435 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.31 CCC1=CC=C(C(C)=O)S1 SBB021979 [0,2,0,0,0,0|1,1,0]=4 352 B10R1.31 CN(C)C1=CC=C(C=O)O1 SBB010276 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.31 CSC1=CC=C(C(=O)O)S1 SBB002900 [0,2,0,0,0,0|0,1,1]=4 354 B10R1.31 NCC1=CC=C(C(=O)O)O1 SBB010282 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.31 O=C(O)C1=CC=C(CO)O1 SBB047405 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.31 O=[N+]([O-])C1=CC=C(CBr)O1 SBB000452 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [0,0,1,1,0,0|2,0,0]=4 358 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,1,1,0,0|1,0,1]=4 359 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,0,1,1,0,0|2,0,0]=4 360 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,0,1,1,0,0|1,0,1]=4 361 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,1,1,0,0|2,0,0]=4 362 B8R1.5 CC1=CC=CC=C1O SBB060100 [0,0,1,1,0,0|1,0,1]=4 363 B6R0.3 C=C(C)C(=O)OC SBB060556 [0,0,1,0,1,0|1,1,0]=4